2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine

C16H21ClN2S — CID 62569823

IUPAC2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCC(CNCc1cccs1)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2S/c1-13(10-18-11-16-4-3-9-20-16)19(2)12-14-5-7-15(17)8-6-14/h3-9,13,18H,10-12H2,1-2H3
InChIKeyKSZKUVOVEJHJJM-UHFFFAOYSA-N
MW308.88 g/mol
LogP4.01
Rot. Bonds7

About 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine

2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 62569823) has the molecular formula C16H21ClN2S and a molecular weight of 308.88 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID62569823
Molecular FormulaC16H21ClN2S
Molecular Weight308.88 g/mol
Exact Mass308.11
IUPAC Name2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCC(CNCc1cccs1)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2S/c1-13(10-18-11-16-4-3-9-20-16)19(2)12-14-5-7-15(17)8-6-14/h3-9,13,18H,10-12H2,1-2H3
InChIKeyKSZKUVOVEJHJJM-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62570531
2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883
2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568611
2-N-methyl-2-N-(2-propan-2-yloxyethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 81068790
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62569378
2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087404
1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43677636
1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62413585
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557056
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 62569823) is 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine is CC(CNCc1cccs1)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is KSZKUVOVEJHJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2S/c1-13(10-18-11-16-4-3-9-20-16)19(2)12-14-5-7-15(17)8-6-14/h3-9,13,18H,10-12H2,1-2H3.
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 308.88 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62569823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).